SCHEMBL21987642

SCHEMBL21987642

O=S(=O)(Cl)CC1COC2(CCCCC2)O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
GAA P10253 1/20 0.47
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
RIN1 Q13671 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 4/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1B P35368 3/20 0.39
ADRA1A P35348 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CA2 P00918 4/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20624944 0.82 PABPC1 (0.51) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL18885118 0.79 PABPC1 (0.59) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL13381099 0.79 PABPC1 (0.59) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL6218973 0.77 PABPC1 (0.53) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL13381093 0.77 PABPC1 (0.56) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL6217663 0.75 PABPC1 (0.50) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL6580763 0.75 PABPC1 (0.50) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL8590387 0.73 CA2 (0.49) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL8325616 0.73 PABPC1 (0.53) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL1487109 0.73 PABPC1 (0.53) PABPC1CTDSP1GAATMEM97SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL PABPC1 942/4885CTDSP1 382/4885GAA 1238/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 PABPC1 1822/4885CTDSP1 157/4885GAA 2071/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.